Molecule

ID:18440

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKey
KJBKPRMEMJKXDV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccncc1Cl
Isomeric Smiles
c1cncc(c1N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.38975063
LogD (pH = 7.4)
0.3382112
Log P
0.5306921
Molar Refractivity
33.4063
Polarizability
12.471977
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation